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NMR processing:
MDD
NMR assignment:
Backbone:
Autoassign
MARS
UNIO Match
PINE
Side-chains:
UNIO ATNOS-Ascan
NOEs:
UNIO ATNOS-Candid
UNIO Candid
ASDP
Structure from NMR restraints:
Ab initio:
GeNMR
Cyana
XPLOR-NIH
ASDP
UNIO ATNOS-Candid
UNIO Candid
Fragment-based:
BMRB CS-Rosetta
Rosetta-NMR (Robetta)
Template-based:
GeNMR
I-TASSER
Refinement:
Amber
Structure from chemical shifts:
Fragment-based:
WeNMR CS-Rosetta
BMRB CS-Rosetta
Homology-based:
CS23D
Simshift
Torsion angles from chemical shifts:
Preditor
TALOS
Promega- Proline
Secondary structure from chemical shifts:
CSI (via RCI server)
TALOS
MICS caps, β-turns
d2D
PECAN
Flexibility from chemical shifts:
RCI
Interactions from chemical shifts:
HADDOCK
Chemical shifts re-referencing:
Shiftcor
UNIO Shiftinspector
LACS
CheckShift
RefDB
NMR model quality:
NOEs, other restraints:
PROSESS
PSVS
RPF scores
iCing
Chemical shifts:
PROSESS
CheShift2
Vasco
iCing
RDCs:
DC
Anisofit
Pseudocontact shifts:
Anisofit
Protein geomtery:
Resolution-by-Proxy
PROSESS
What-If
iCing
PSVS
MolProbity
SAVES2 or SAVES4
Vadar
Prosa
ProQ
MetaMQAPII
PSQS
Eval123D
STAN
Ramachandran Plot
Rampage
ERRAT
Verify_3D
Harmony
Quality Control Check
NMR spectrum prediction:
FANDAS
MestReS
V-NMR
Flexibility from structure:
Backbone S2
Methyl S2
B-factor
Molecular dynamics:
Gromacs
Amber
Antechamber
Chemical shifts prediction:
From structure:
Shiftx2
Sparta+
Camshift
CH3shift- Methyl
ArShift- Aromatic
ShiftS
Proshift
PPM
CheShift-2- Cα
From sequence:
Shifty
Camcoil
Poulsen_rc_CS
Disordered proteins:
MAXOCC
Format conversion & validation:
CCPN
From NMR-STAR 3.1
Validate NMR-STAR 3.1
NMR sample preparation:
Protein disorder:
DisMeta
Protein solubility:
camLILA
ccSOL
Camfold
camGroEL
Zyggregator
Isotope labeling:
UPLABEL
Solid-state NMR:
sedNMR

Showing results 1 to 25 of 50
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Search: Threads Started By: markber
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Go to first new post Why Science is broken (and how to fix it)
An interesting post from a blog that BioNMR does not aggregate: Why Science is broken (and how to fix it) By Morgan Giddings 1 September 2011 Bell Labs was a remarkable enterprise which, according to Wikipedia, contributed to the development of cell phones, wlan (wifi), semiconductors, compression algorithms, and many more developments that changed the way people interact with technology. Bell Labs worked well because they brought together innovative thinkers, and let them innovate. People there didn’t have to write grant proposals, teach students, serve on committees, or work on...
markber
02-08-2013 04:27 PM
by markber Go to last post
0 712 General
Go to first new post Are you interested in further development of PPT-DB: the protein property prediction and testing database?
If you find PPT-DB useful for your research or would like to suggest a new feature, you can let program developers know here. PPT-DB info: Reference: PPT-DB: the protein property prediction and testing database. Nucleic Acids Research 2008 36(Database issue):D222-D229.
markber
01-29-2013 07:23 AM
by markber Go to last post
0 4,880 NMR software feature requests
markber
01-27-2013 10:51 PM
by markber Go to last post
0 764 General
Go to first new post The BMRB matters
The BMRB matters Nature Structural & Molecular Biology 19, 853 (2012) doi:10.1038/nsmb.2387 Published online 06 September 2012 NATURE STRUCTURAL & MOLECULAR BIOLOGY | EDITORIAL http://www.nature.com/nsmb/journal/v19/n9/full/nsmb.2387.html
markber
11-27-2012 11:26 AM
by markber Go to last post
0 655 General
Go to first new post TWO FACULTY POSITIONS in MOLECULAR STRUCTURE & FUNCTION THE HOSPITAL FOR SICK CHILDREN, TORONTO, ON, CANADA
TWO FACULTY POSITIONS in MOLECULAR STRUCTURE & FUNCTION THE HOSPITAL FOR SICK CHILDREN, TORONTO, ON, CANADA To coincide with the opening of The Hospital for Sick Children’s (SickKids) new Centre for Research and Learning in August 2013, the Program in Molecular Structure & Function (MSF) is seeking two exceptional individuals who are interested in exploiting the unique research environment provided by Canada’s largest paediatric hospital-based research institute (Sickkids - hospital Research/AbouttheInstitute/index.html). Individuals, at all stages of their career, that use...
markber
10-15-2012 05:50 PM
by markber Go to last post
0 1,125 Job marketplace
Sticky Thread Go to first new post Sticky: Humans, aliens, and eHarmony or why there is no such thing as a free lunch in protein structure determination from sparse experimental data
<img src="http://images.slidesharecdn.com/groupmeetingpresentations72712fcut4-120820213018-phpapp01/95/slide-1-728.jpg?1345517350" width=60%> Downloads: A new file has been added by markber: Protein_structure_determination_from_sparse_data Watch online Humans, aliens, and eHarmony or why there is no such thing as a free lunch in protein structure determination from sparse experimental data
markber
08-21-2012 02:19 AM
by markber Go to last post
0 9,537 NMR presentations
Go to first new post Three-days HADDOCK workshop in Vilnius
LINK Description HADDOCK is an information-driven docking program developed at Utrecht University, which is widely used in the structural biology community and has demonstrated a strong performance in the blind docking competition CAPRI. The workshop will be given by Prof. Alexandre Bonvin with a number of his group members. It will consist of lectures in the morning and hands-on sessions on computers in the afternoon. Sign ups are limited to 20 people. For these, experience with Linux is a requisite. The workshop will cover various aspects of the modelling of biomolecular...
markber
02-26-2012 10:22 PM
by markber Go to last post
0 1,111 Conferences
Go to first new post GeNMR - template-based structure generation from NMR data
GeNMR website GeNMR (GEnerate NMR structures) is a web server for template-based or ab initio generation of 3D protein structures using NOE-derived distance restraints and NMR chemical shifts. The web server produces an ensemble of PDB coordinates within a period ranging from 20 minutes to 4 hours, depending on protein size, server load, quality and type of experimental information, and selected protocol options. References: 1. Berjanskii M, Tang P, Liang J, Cruz JA, Zhou J, Zhou Y, Bassett E, MacDonell C, Lu P, Lin G, Wishart DS. (2009)GeNMR: a web server for rapid NMR-based...
markber
02-23-2012 10:21 PM
by markber Go to last post
0 2,026 NMR software
Go to first new post CS23D - generating protein structure from NMR chemical shifts and sequence homology
CS23D website CS23D is a web server for rapidly generating accurate 3D protein structures using only assigned NMR chemical shifts as input. CS23D uses a combination of maximal subfragment assembly, chemical shift threading, shift-based torsion angle prediction and chemical shift refinement to generate and refine the protein coordinates. CS23D accepts chemical shift files in either SHIFTY or BMRB formats and produces a set of PDB coordinates for the protein normally within 10-15 minutes (3 hours max). CS23D performance is dependent on the completeness of the chemical shift assignments and...
markber
02-23-2012 09:40 PM
by markber Go to last post
0 2,004 NMR software
Go to first new post RCI - Random Coil Index for predicting protein flexibility from chemical shifts
RCI website RCI method predicts protein flexibility by calculating the Random Coil Index from backbone chemical shifts and predicting values of model-free order parameters as well as per-residue RMSF of NMR and MD ensembles from the Random Coil Index. The key advantages of this protocol over existing methods of studying protein flexibility are (i) it does not require prior knowledge of a protein's tertiary structure, (ii) it is not sensitive to the protein's overall tumbling and (iii) it does not require additional NMR measurements beyond the standard experiments for backbone...
markber
02-02-2012 11:36 PM
by markber Go to last post
0 2,797 NMR software
Go to first new post Protein NMR - A Practical Guide - Solid-state MAS NMR Spectra
Below is a Google-cached version of Protein NMR - A Practical Guide - Solid-state MAS NMR Spectra page from www.protein-nmr.org.uk crashed on 11/6/11. You may want to check first if the site has been restored since it would also display images or/and have a more updated info. Spectrum Descriptions This page contains a list of some solid-state magic-angle spinning (MAS) NMR experiments which are useful for protein solid-state MAS NMR assignment and structure calculations. For each experiment there is short description and an illustration showing the observed magnetisation...
markber
11-07-2011 04:17 AM
by markber Go to last post
0 22,614 Cashed version of protein-nmr.org.uk
Go to first new post Protein NMR - A Practical Guide - Solution NMR Assignment - Practice
Below is a Google-cached version of Protein NMR - A Practical Guide - Solution NMR Assignment - Practice page from www.protein-nmr.org.uk that went down on 11/6/11. You may want to check first if the site has been restored since it would also display images or/and have a more updated info. Assignment - Practice (for Analysis 2.1) This section describes how the assignment principles described under Assignment - Theory can be but put into practice using the CCCPNmr Analysis software. There are several ways in which triple resonance backbone assignment, in particular, can be approached...
markber
11-07-2011 01:25 AM
by markber Go to last post
0 13,049 Cashed version of protein-nmr.org.uk
Go to first new post Protein NMR - A Practical Guide - Glossary / Abbreviations
Below is a Google-cached version of Protein NMR - A Practical Guide - Glossary / Abbreviations page from www.protein-nmr.org.uk crashed on 11/6/11. You may want to check first if the site has been restored since it would also display images or/and have a more updated info. Glossary and Abbreviations 2D two-dimensional 3D three-dimensional Double Labelled
markber
11-06-2011 10:27 PM
by markber Go to last post
0 9,841 Cashed version of protein-nmr.org.uk
Go to first new post Protein NMR - A Practical Guide - Solution NMR Assignment Theory
Below is a Google-cached version of Protein NMR - A Practical Guide - Solution NMR Assignment Theory page from www.protein-nmr.org.uk crashed on 11/6/11. You may want to check first if the site has been restored. Assignment - Theory The most simple and straight forward method of backbone resonance assignment involves the use of 15N,13C labelled protein and the measurement of CBCANNH and CBCA(CO)NNH spectra. Large Proteins Large proteins give worse NMR spectra, because they tumble more slowly. For this reason the CBCANNH and CBCA(CO)NNH spectra of larger proteins (> 150...
markber
11-06-2011 09:42 PM
by markber Go to last post
0 14,255 Cashed version of protein-nmr.org.uk
Go to first new post Protein NMR - A Practical Guide - Solution NMR Spectra
Below is a Google-cached version of Protein NMR - A Practical Guide - Solution NMR Spectra page from www.protein-nmr.org.uk crashed on 11/6/11. You may want to check first if the site has been restored. Spectrum Descriptions This page contains a list of the solution NMR experiments most commonly used in protein NMR assignment and structure calculation. For each experiment there is an illustration showing which atoms are observed (pink) and through which atoms magnetisation flows (light blue). An example spectrum shows what it should look like and particular features and...
markber
11-06-2011 08:45 PM
by markber Go to last post
0 15,347 Cashed version of protein-nmr.org.uk
Go to first new post Protein NMR - A Practical Guide
Below is a Google-cached version of Protein NMR - A Practical Guide page from crashed protein-nmr.org.uk. You may want to check first if the site was restored. Most books on Protein NMR focus on theoretical aspects and pulse sequences with only little space devoted to resonance assignment and structure calculations. At the same time many software manuals provide detailed information on how to use the software, but assume prior knowledge of the concepts of assignment and structure calculation. This has produced a gap in this area which these webpages aim to bridge by describing the ...
markber
11-06-2011 08:22 PM
by markber Go to last post
0 11,397 Cashed version of protein-nmr.org.uk
Go to first new post Keystone Symposia Frontiers of NMR in Biology 2011
<table><tbody><tr><td align="center">Organizers: Michael F. Summers, Dorothee Kern and David E. Wemmer January 8 - 13, 2011 • Big Sky Resort • Big Sky, Montana </td><td align="center"> </td></tr></tbody></table> Conference website Meeting Summary Nuclear magnetic resonance (NMR) spectroscopy is now a well-established tool for determining structures of small to moderate size biomacromolecules. The horizon is expanding, however, through recent methodological advances, including the evolution of approaches...
markber
04-26-2011 10:25 AM
by mathew4513 Go to last post
1 15,589 Conferences
Go to first new post Not-NMR: interesting comments about article "Fix the PhD" in Nature
See the article here Comments: B. B. Goel: Xianfa Xie:
markber
04-22-2011 08:26 PM
by markber Go to last post
1 8,968 General
Go to first new post Prof. Konstantin Pervushin's NMR group
Prof. Konstantin Pervushin affiliation: Structural Biology Biozentrum, University of Basel Basel / Switzerland http://www.biozentrum.unibas.ch/associated_group/pervushin/images/konstantinB.jpg A copy of Porf. Pervushin's research interests from the group website:
markber
11-14-2010 06:26 AM
by markber Go to last post
0 23,753 NMR research groups
Go to first new post Michael Gryk's NMR group, University of Connecticut, USA
Below is a copy of information about Gryk's lab from the website of University of Connecticut. <table width="100%" border="0" cellpadding="0" cellspacing="0"><tbody><tr><td style="padding: 10px 20px 20px;" valign="top" width="45%" align="left">Michael R. Gryk Associate Professor of Molecular, Microbial and Structural Biology gryk@uchc.edu B.S., M.S., University of Connecticut
markber
11-01-2010 07:53 PM
by markber Go to last post
0 19,757 NMR research groups
Go to first new post CONNJUR - open source integration environment for biomolecular NMR data analysis
CONNJUR Project website The CONNJUR Project is developing an open source integration environment for biomolecular NMR data analysis. CONNJUR software is a workflow generator, based on legacy NMR analysis applications, that is being developed as Open Source Software -- it is perpetually free for anyone to use, modify and distribute. CONNJUR is developed by a community of NMR spectroscopists and scientific programmers who aim to create and maintain NMR analysis tools bounded by the goals of excellent end-product, free of charge, open source software using the...
markber
11-01-2010 07:45 PM
by markber Go to last post
0 26,808 NMR software
Go to first new post NMR Postdoctoral Associate - Steve M. King group - University of Connecticut
An NIH-funded postdoctoral position is available immediately in the laboratory of Dr. Steve M. King in the Department of Biochemistry. The project involves determination of the structure and dynamics of components of the dynein microtubule motor complex using NMR spectroscopy. A strong background in biophysics is required. Applications should be sent by email to steve@king2.uchc.edu. source: structbio.uchc.edu/positions.html
markber
11-01-2010 07:43 PM
by markber Go to last post
0 14,985 Job marketplace
Go to first new post NMR postdoctoral positions - Alexandrescu's Group - University of Connecticut
Several postdoctoral positions are available in the laboratory of Dr Andrei Alexandrescu at the UConn-Storrs campus. The aim of this NSF-funded project is to obtain an improved structural description of protein folding. A particular area of emphasis is to explore the use of NMR residual dipolar couplings data for the structural characterization of non-native states. A related interest is the development of methods for increasing the efficiency of NMR structure determination by combining "knowledge-based" restraints with the smallest possible number of experimentally-derived NMR restraints....
markber
11-01-2010 07:38 PM
by markber Go to last post
0 14,765 Job marketplace
Go to first new post Postdoctoral position in NMR software development - University of Connecticut Health
Positions Opening Programmer: We are looking for an enthusiastic and energetic individual to continue development of the CONNJUR framework. Knowledge and experience with object-oriented programming and the JAVA programming language required. Familiarity with UNIX and shell programming would be a plus. Post-doctoral Associate: We are looking for a knowledgeable NMR researcher to expand the working scope of the CONNJUR application. Knowledge of the NMR processing pipeline and hands-on experience using NMR to solve biological problems is expected of the candidate. An...
markber
11-01-2010 07:36 PM
by markber Go to last post
0 14,862 Job marketplace
Go to first new post Post Doctoral Fellow NMR position in the lab of Damodaran Krishnan
Contact Name: Damodaran Krishnan Contact Email: damodak@pitt.edu Contact Telephone: 412-624-8403 Employer: University of Pittsburgh Background A post doctoral position is available at the chemistry department at University of Pittsburgh to study the interaction of CO2 with Ionic liquids and other sorbents using high resolution NMR spectroscopy. The facility is fully equipped with state-of-the-art Bruker Avance III NMR spectrometers, including 300, 400, 500, 600 and 700 MHz spectrometers. The post-doctoral...
markber
11-01-2010 01:51 AM
by markber Go to last post
0 13,902 Job marketplace
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